SCHEMBL22195913

SCHEMBL22195913

c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 5/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ MAPT P10636 8/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ LMNA P02545 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRDT Q58F21 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25017696 1.00 PRKDC (0.36) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL22329651 0.96 MAPT (0.38) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL23686162 0.96 MAPT (0.38) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL25016284 0.95 PRKDC (0.36) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL25016473 0.95 PRKDC (0.36) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL25016278 0.95 PRKDC (0.36) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL25017991 0.94 ALOX5 (0.38) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL23686167 0.94 MAPT (0.36) MAPTALDH1A1KDM4EPOLBNPSR1
SCHEMBL22329707 0.94 MAPT (0.36) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL22329706 0.94 MAPT (0.36) MAPTALDH1A1KDM4EPOLBNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 — — WO disclosed
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